CID 55291029

4839-70-7

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CC12CC1(C2)CN

InChI

InChI=1S/C6H11N/c1-5-2-6(5,3-5)4-7/h2-4,7H2,1H3

InChIKey

DMRRFLWMAUIWEG-UHFFFAOYSA-N

Compound name

(3-methyl-1-bicyclo[1.1.0]butanyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 97.08915 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	98.096426	133.7
[M+Na]+	120.07837	142.8
[M-H]-	96.081874	139.5
[M+NH4]+	115.12297	149.0
[M+K]+	136.05231	143.5
[M+H-H2O]+	80.086410	130.8
[M+HCOO]-	142.08735	153.3
[M+CH3COO]-	156.10300	183.9
[M+Na-2H]-	118.06382	141.3
[M]+	97.088601	137.9
[M]-	97.089699	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.